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Precompiled executables for x86_64 (64 bit) architecture with Linux operating system. Use the OMP_NUM_THREADS environment variable to contol the number of threads used by the binaries.

Note: the executables were compiled with GNU Fortran and linked against OpenBLAS. You may obtain considerably faster and better scaling binaries by building those yourself using a commercial compiler (e.g. Intel Fortran) and vendor optimised LAPACK/BLAS libraries (e.g. Intel MKL).

exectutables (Windows)

Due to lack of resources, we do not support Windows. However, you may find DFTB+ binaries for Windows created by external volunteers (see e.g. the djmol platform).

Disclaimer: Those binaries were not created by the DFTB+ developer team, and we neither warranty their proper functionality nor can give any support in case those binaries do not work as intented.